2-Chloroethyl 3-phenylprop-2-enoate

Base Information

• Chemical Name: 2-Chloroethyl 3-phenylprop-2-enoate
• CAS No.: 946-84-9
• Molecular Formula: C11H11 Cl O2
• Molecular Weight: 210.66
• NSC Number: 408075
• DSSTox Substance ID: DTXSID80419717
• Wikidata: Q82230884
• Mol file: 946-84-9.mol

Synonyms:946-84-9;2-chloroethyl 3-phenylprop-2-enoate;NSC408075;SCHEMBL10350395;DTXSID80419717;NSC-408075

Chemical Property of 2-Chloroethyl 3-phenylprop-2-enoate

Chemical Property:

• Vapor Pressure: 0.000234mmHg at 25°C
• Boiling Point: 325.2°C at 760 mmHg
• Flash Point: 164.5°C
• Density: 1.181g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 210.0447573
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)OCCCl
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)OCCCl

Technology Process of 2-Chloroethyl 3-phenylprop-2-enoate

There total 3 articles about 2-Chloroethyl 3-phenylprop-2-enoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-Phenylpropenol (104-54-1) → 3-phenyl-propionaldehyde (104-53-0) + Zimtsaeure-β-chlor-aethylester (946-84-9) + 2-chloroethyl 3-phenylpropanoate (28049-03-8) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With sodium carbonate; adogen 464; palladium dichloride; In 1,2-dichloro-ethane; for 22h; Yields of byproduct given; Heating;

DOI:10.1016/0040-4039(95)00286-3

Reference yield:

3-Phenylpropenol (104-54-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 3-phenyl-propionaldehyde (104-53-0) + Zimtsaeure-β-chlor-aethylester (946-84-9) + 2-chloroethyl 3-phenylpropanoate (28049-03-8) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With sodium carbonate; adogen 464; palladium dichloride; for 22h; Yield given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0040-4039(95)00286-3

Reference yield:

→ Zimtsaeure-β-chlor-aethylester (946-84-9)

Guidance literature:

Zimtsaeurechlorid, β-Chlorethanol;

upstream raw materials:

3-Phenylpropenol

1,2-dichloro-ethane

Refernces